Information card for entry 7116744

Structure parameters

• Formula: C12.17 H20.33 N2 Na
• Calculated formula: C12.1667 H20.3333 N2 Na
• SMILES: C(C)(C)(C)c1[n-]nc(C(C)(C)C)c1.[Na+].c1(ccccc1)C
• Title of publication: A pyrazolate-stabilized sodium hydride complex
• Authors of publication: Andreas Stascha
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5056
• a: 15.184 ± 0.003 Å
• b: 19.831 ± 0.004 Å
• c: 26.107 ± 0.005 Å
• α: 90°
• β: 100.11 ± 0.03°
• γ: 90°
• Cell volume: 7739 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No